2-[1-(methylamino)ethyl]-5-(N,3,5-trimethylanilino)phenol

C18H24N2O — CID 79590960

IUPAC2-[1-(methylamino)ethyl]-5-(N,3,5-trimethylanilino)phenol
SMILESCNC(C)c1ccc(N(C)c2cc(C)cc(C)c2)cc1O
InChIInChI=1S/C18H24N2O/c1-12-8-13(2)10-16(9-12)20(5)15-6-7-17(14(3)19-4)18(21)11-15/h6-11,14,19,21H,1-5H3
InChIKeyHPYAZYLVFJGZDI-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.06
Rot. Bonds4

About 2-[1-(methylamino)ethyl]-5-(N,3,5-trimethylanilino)phenol

2-[1-(methylamino)ethyl]-5-(N,3,5-trimethylanilino)phenol (PubChem CID 79590960) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[1-(methylamino)ethyl]-5-(N,3,5-trimethylanilino)phenol.

Molecular Properties

Compound Name2-[1-(methylamino)ethyl]-5-(N,3,5-trimethylanilino)phenol
PubChem CID79590960
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-[1-(methylamino)ethyl]-5-(N,3,5-trimethylanilino)phenol
SMILESCNC(C)c1ccc(N(C)c2cc(C)cc(C)c2)cc1O
InChIInChI=1S/C18H24N2O/c1-12-8-13(2)10-16(9-12)20(5)15-6-7-17(14(3)19-4)18(21)11-15/h6-11,14,19,21H,1-5H3
InChIKeyHPYAZYLVFJGZDI-UHFFFAOYSA-N
XLogP4.06
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(methylamino)ethyl]-5-[methyl(pyridin-4-ylmethyl)amino]phenol
CID 79599888
5-[(2-fluorophenyl)methyl-methylamino]-2-[1-(methylamino)ethyl]phenol
CID 79590474
5-(N-methylanilino)-2-[1-(propylamino)ethyl]phenol
CID 79590195
5-[cyclopropylmethyl(propan-2-yl)amino]-2-[1-(methylamino)ethyl]phenol
CID 79603979
2-bromo-N-(3,5-dimethylphenyl)-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 63533609
5-[(3-bromophenyl)methyl-methylamino]-2-[1-(methylamino)ethyl]phenol
CID 79590480
5-[cyclopropylmethyl(ethyl)amino]-2-[1-(methylamino)ethyl]phenol
CID 79603652
2-(1-hydroxyethyl)-5-(N-methylanilino)phenol
CID 79603574
4-methyl-2-[(1R)-1-(methylamino)ethyl]phenol
CID 55277105
4-methyl-2-[1-(methylamino)ethyl]phenol
CID 43504566
3-hydroxy-4-[(1R)-1-(methylamino)ethyl]benzoic acid
CID 55276123
2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol
CID 130023220

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)ethyl]-5-(N,3,5-trimethylanilino)phenol?
The IUPAC name of 2-[1-(methylamino)ethyl]-5-(N,3,5-trimethylanilino)phenol (CID 79590960) is 2-[1-(methylamino)ethyl]-5-(N,3,5-trimethylanilino)phenol.
What is the SMILES notation for 2-[1-(methylamino)ethyl]-5-(N,3,5-trimethylanilino)phenol?
The canonical SMILES for 2-[1-(methylamino)ethyl]-5-(N,3,5-trimethylanilino)phenol is CNC(C)c1ccc(N(C)c2cc(C)cc(C)c2)cc1O.
What is the InChIKey of 2-[1-(methylamino)ethyl]-5-(N,3,5-trimethylanilino)phenol?
The InChIKey is HPYAZYLVFJGZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-8-13(2)10-16(9-12)20(5)15-6-7-17(14(3)19-4)18(21)11-15/h6-11,14,19,21H,1-5H3.
What are the key properties of 2-[1-(methylamino)ethyl]-5-(N,3,5-trimethylanilino)phenol?
2-[1-(methylamino)ethyl]-5-(N,3,5-trimethylanilino)phenol has a molecular weight of 284.40 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)ethyl]-5-(N,3,5-trimethylanilino)phenol is sourced from PubChem (CID 79590960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).